Počet záznamů: 1
Couples and pairs formation-thermodynamic and kinetic modelling applied to Al-Mg-Si
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SYSNO ASEP 0506813 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Couples and pairs formation-thermodynamic and kinetic modelling applied to Al-Mg-Si Tvůrce(i) Svoboda, Jiří (UFM-A) RID, ORCID
Shan, Y. V. (AT)
Kozeschnik, E. (AT)
Fischer, F D. (AT)Celkový počet autorů 4 Číslo článku 065011 Zdroj.dok. Modelling and Simulation in Materials Science and Engineering. - : Institute of Physics Publishing - ISSN 0965-0393
Roč. 25, č. 6 (2017)Poč.str. 15 s. Jazyk dok. eng - angličtina Země vyd. GB - Velká Británie Klíč. slova grain-boundary diffusion ; self-consistent model ; solid-solutions ; alloys ; precipitation ; behavior ; 1st-principles ; simulation ; elements ; modelling ; thermodynamic extremal principle ; bulk diffusion ; kinetics ; aluminium alloys ; cluster-assisted nucleation Vědní obor RIV BJ - Termodynamika Obor OECD Thermodynamics CEP GA15-06390S GA ČR - Grantová agentura ČR Způsob publikování Omezený přístup Institucionální podpora UFM-A - RVO:68081723 UT WOS 000404472800001 EID SCOPUS 85027225948 DOI 10.1088/1361-651X/aa76cf Anotace Kinetics of formation of couples (B-C) and pairs (B-B, C-C) is studied in an alloy with B-atoms and C-atoms as dilute solutes and A-atoms as solvent. The trapping concept, allowing division of the system into subsystems, the Bragg-Williams approximation used for the configurational entropy of each subsystem, and the thermodynamic extremal principle are applied in the model. The derived equilibrium conditions provide an extended Oriani-type equation. The kinetics of couples and pairs formation is given by explicit ordinary differential equations for the concentrations of couples and pairs allowing calculation of all relevant state variables. The concept is applied to an Al-Mg-Si system with the bonding energy terms EBB, ECC, EBC taken from ab-initio calculations. The presence of excess vacancies that are eventually frozen in by instant quenching as well as their subsequent annihilation influence the formation kinetics in a decisive way. Pracoviště Ústav fyziky materiálu Kontakt Yvonna Šrámková, sramkova@ipm.cz, Tel.: 532 290 485 Rok sběru 2020 Elektronická adresa https://iopscience.iop.org/article/10.1088/1361-651X/aa76cf
Počet záznamů: 1